1,3-dimethyl-5-[(1-methylpiperidin-3-yl)amino]pyrazole-4-carboxylic acid

C12H20N4O2 — CID 55242499

IUPAC1,3-dimethyl-5-[(1-methylpiperidin-3-yl)amino]pyrazole-4-carboxylic acid
SMILESCc1nn(C)c(NC2CCCN(C)C2)c1C(=O)O
InChIInChI=1S/C12H20N4O2/c1-8-10(12(17)18)11(16(3)14-8)13-9-5-4-6-15(2)7-9/h9,13H,4-7H2,1-3H3,(H,17,18)
InChIKeyNWMBHUZBXZMFRU-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.93
Rot. Bonds3

About 1,3-dimethyl-5-[(1-methylpiperidin-3-yl)amino]pyrazole-4-carboxylic acid

1,3-dimethyl-5-[(1-methylpiperidin-3-yl)amino]pyrazole-4-carboxylic acid (PubChem CID 55242499) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1,3-dimethyl-5-[(1-methylpiperidin-3-yl)amino]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1,3-dimethyl-5-[(1-methylpiperidin-3-yl)amino]pyrazole-4-carboxylic acid
PubChem CID55242499
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name1,3-dimethyl-5-[(1-methylpiperidin-3-yl)amino]pyrazole-4-carboxylic acid
SMILESCc1nn(C)c(NC2CCCN(C)C2)c1C(=O)O
InChIInChI=1S/C12H20N4O2/c1-8-10(12(17)18)11(16(3)14-8)13-9-5-4-6-15(2)7-9/h9,13H,4-7H2,1-3H3,(H,17,18)
InChIKeyNWMBHUZBXZMFRU-UHFFFAOYSA-N
XLogP0.93
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[(1-methylpiperidin-3-yl)amino]pyrazole-4-carboxylic acid?
The IUPAC name of 1,3-dimethyl-5-[(1-methylpiperidin-3-yl)amino]pyrazole-4-carboxylic acid (CID 55242499) is 1,3-dimethyl-5-[(1-methylpiperidin-3-yl)amino]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1,3-dimethyl-5-[(1-methylpiperidin-3-yl)amino]pyrazole-4-carboxylic acid?
The canonical SMILES for 1,3-dimethyl-5-[(1-methylpiperidin-3-yl)amino]pyrazole-4-carboxylic acid is Cc1nn(C)c(NC2CCCN(C)C2)c1C(=O)O.
What is the InChIKey of 1,3-dimethyl-5-[(1-methylpiperidin-3-yl)amino]pyrazole-4-carboxylic acid?
The InChIKey is NWMBHUZBXZMFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8-10(12(17)18)11(16(3)14-8)13-9-5-4-6-15(2)7-9/h9,13H,4-7H2,1-3H3,(H,17,18).
What are the key properties of 1,3-dimethyl-5-[(1-methylpiperidin-3-yl)amino]pyrazole-4-carboxylic acid?
1,3-dimethyl-5-[(1-methylpiperidin-3-yl)amino]pyrazole-4-carboxylic acid has a molecular weight of 252.32 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[(1-methylpiperidin-3-yl)amino]pyrazole-4-carboxylic acid is sourced from PubChem (CID 55242499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).